3-N-(2-Fluoroethyl)spiperone
Basic information
- CAS
106114-42-5- Standard SMILES
O=C(CCCN1CCC2(CC1)C(=O)N(CCF)CN2c1ccccc1)c1ccc(F)cc1- InChIKey
MNARAEXGMVEFDO-UHFFFAOYSA-N- Molecular formula
- C25H29F2N3O2
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.2227835
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-N-(2-Fluoroethyl)spiperone
- IUPAC
- 3-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- English name
- 3-N-(2-fluoroethyl)spiperone
- Molecular formula
- C25H29F2N3O2
- Molecular weight
- 441.51
Names & synonyms
3-N-(2-Fluoroethyl)spiperoneFESP106114-42-53-(2'-Fluoroethyl)spiperoneFBL40PW9PYDTXSID801475231,3,8-Triazaspiro(4.5)decan-4-one, 3-(2-fluoroethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-RefChem:94988DTXCID10700143-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one3-(2-FLUOROETHYL)-8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DECAN-4-ONEUNII-FBL40PW9PY
Show more names
Fluoroethyl-spiperoneFESP, Fluoroethylspiperone1,3,8-Triazaspiro[4.5]decan-4-one, 3-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-
18F-FESPFLUOROETHYL SPIPERONESCHEMBL29462918
Database identifiers
- CAS
106114-42-5
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 639
Experimental & physicochemical properties
LogP4.59
Physicochemical properties
- FDA UNII
- 40 PW9PY · FBL40PW9PY
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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